Cheminformatic Tools and Databases for Pharmacology

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
LINACLOTIDE (has an active metabolite)

LINACLOTIDE


ATC A06AX04

METABOLISM
GUANYLATE CYCLASE-C AGONIST
IRRITABLE BOWEL SYNDROME WITH CONSTIPATION
CHRONIC IDIOPATHIC CONSTIPATION

ORAL

Cmax BELOW LIMIT OF DETECTION

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

GUANYLATE CYCLASE-C (GC-C)

HEAT-STABLE ENTEROTOXIN RECEPTOR AGONIST CHEMBL1795197 HEAT-STABLE ENTEROTOXIN RECEPTOR P25092 HEAT-STABLE ENTEROTOXIN RECEPTOR HOMO SAPIENS ENZYME LYASE GUANYLATE CYCLASE RECEPTOR GUANYLATE CYCLASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
M LINACLOTIDE (is an active metabolite)

LINACLOTIDE


ATC A06AX04

METABOLISM
GUANYLATE CYCLASE-C AGONIST
IRRITABLE BOWEL SYNDROME WITH CONSTIPATION
CHRONIC IDIOPATHIC CONSTIPATION

- GUANYLATE CYCLASE-C (GC-C)

HEAT-STABLE ENTEROTOXIN RECEPTOR AGONIST CHEMBL1795197 HEAT-STABLE ENTEROTOXIN RECEPTOR P25092 HEAT-STABLE ENTEROTOXIN RECEPTOR HOMO SAPIENS ENZYME LYASE GUANYLATE CYCLASE RECEPTOR GUANYLATE CYCLASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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